N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide

C25H22ClF2N9O4 — CID 123234741

IUPACN-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2(C(=O)NCCc3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1
InChIInChI=1S/C25H22ClF2N9O4/c1-37-35-21(34-36-37)20-16(6-15(26)7-18(20)28)13-5-17(27)19(30-8-13)3-4-29-23(39)25(11-41-12-25)33-22(38)14-9-31-24(40-2)32-10-14/h5-10H,3-4,11-12H2,1-2H3,(H,29,39)(H,33,38)
InChIKeyUKQFNDSCQNLGNK-UHFFFAOYSA-N
MW585.96 g/mol
LogP1.53
Rot. Bonds9

About N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide

N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 123234741) has the molecular formula C25H22ClF2N9O4 and a molecular weight of 585.96 g/mol. Its IUPAC name is N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
PubChem CID123234741
Molecular FormulaC25H22ClF2N9O4
Molecular Weight585.96 g/mol
Exact Mass585.15
IUPAC NameN-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2(C(=O)NCCc3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1
InChIInChI=1S/C25H22ClF2N9O4/c1-37-35-21(34-36-37)20-16(6-15(26)7-18(20)28)13-5-17(27)19(30-8-13)3-4-29-23(39)25(11-41-12-25)33-22(38)14-9-31-24(40-2)32-10-14/h5-10H,3-4,11-12H2,1-2H3,(H,29,39)(H,33,38)
InChIKeyUKQFNDSCQNLGNK-UHFFFAOYSA-N
XLogP1.53
TPSA158.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.96
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]pyridazine-4-carboxamide
CID 57382925
N-[3-[[(1R)-1-[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 57383007
2-Methoxy-pyrimidine-5-carboxylic acid (1-{(rac)-3-[5-chloro-3-fluoro-2-(2-methyl-2H-tetrazol-5-yl)-phenyl]-6,7-dihydro-5H-[1]pyrindin-7-ylcarbamoyl}-cyclopropyl)-amide
CID 60141185
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]pyrimidine-5-carboxamide
CID 57382750
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 57382839
N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxetane-3-carboxamide
CID 57382921
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-1-methylimidazole-4-carboxamide
CID 57382964
5-amino-N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]pyridine-3-carboxamide
CID 57382965
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]pyridazine-3-carboxamide
CID 57382966
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]pyridine-3-carboxamide
CID 57382967
N-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 57383053
N-[3-[[(1R)-1-[4-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 57383099

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide (CID 123234741) is N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NC2(C(=O)NCCc3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1.
What is the InChIKey of N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is UKQFNDSCQNLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N9O4/c1-37-35-21(34-36-37)20-16(6-15(26)7-18(20)28)13-5-17(27)19(30-8-13)3-4-29-23(39)25(11-41-12-25)33-22(38)14-9-31-24(40-2)32-10-14/h5-10H,3-4,11-12H2,1-2H3,(H,29,39)(H,33,38).
What are the key properties of N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide?
N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 585.96 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethylcarbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 123234741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).